2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol

• ChemBase编号: 604
• 分子式: C11H17NO3
• 平均质量: 211.25758
• 单一同位素质量: 211.12084341
• SMILES: OC(C(N)C)c1c(OC)ccc(OC)c1
• Canonical SMILES: COc1ccc(c(c1)C(C(N)C)O)OC
• InChI: InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3
• InChIKey: WJAJPNHVVFWKKL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol
• IUPAC传统名: methoxamine
• 商标名: Methoxamedrine; Methoxamin; Methoxaminum [INN-Latin]; Metossamina [DCIT]; Metoxamina [INN-Spanish]; Pseudomethoxamine; Vasoxine; Vasoxyl
• 别名: Methoxamine

登记号

• CAS号: 390-28-3
• PubChem SID: 46506264; 160964067
• PubChem CID: 6082

理论计算性质

JChem

• Acid pKa: 13.60522
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -2.3914816
• LogD (pH = 7.4): -1.2848133
• Log P: 0.5699118
• 摩尔折射率: 57.8391 cm^3
• 极化性: 23.027697 Å^3
• 极化表面积: 64.71 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 0.41
• LOG S: -1.36
• 溶解度: 9.21e+00 g/l

分子性质

理化性质

• 溶解度: Soluble (185 g/L)
• 疏水性(logP): 0.8

详细说明

DrugBank - DB00723

• Drug Groups: approved
• Description: An alpha-adrenergic agonist that causes prolonged peripheral vasoconstriction. It has little if any direct effect on the central nervous system. [PubChem]
• Indication: Indicated for the treatment and management of hypotension.
• Pharmacology: Methoxamine is a potent sympathomimetic amine that increases both systolic and diastolic blood pressure. Methoxamine is indicated for prevention and treatment of the acute hypotensive state occurring with spinal anesthesia. It is also indicated as adjunctive treatment of hypotension due to hemorrhage, reactions to medications, surgical complications, and shock associated with brain damage due to trauma or tumor. Methoxamine acts on both α1-adrenergic receptors but appears to have no effect on β-adrenergic receptors. It acts by increasing the force of the heart's pumping action as well as constricting peripheral blood vessels.
• Affected Organisms: Humans and other mammals
• Protein Binding: Low
• External Links: Wikipedia